N-butyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide

Systemtic Name: N-butyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Openeye Name: N-butyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide CAS Name: N-butyl-3-[3-(1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: N-butyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Traditional Name: N-butyl-3-(3-piperazin-4-ium-1-ylphenyl)propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=CC(=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

CCCCNC(=O)CCC1=CC(=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-2-3-9-19-17(21)8-7-15-5-4-6-16(14-15)20-12-10-18-11-13-20/h4-6,14,18H,2-3,7-13H2,1H3,(H,19,21)/p+1